master
torchani
Repository badge with AMinus rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
examples\neurochem_trainer.py
1 3 -
A
.github\workflows\clang-format.yml
 2 -
A
tools\aev-benchmark-size.py
34 4 1
A
tools\generate-xyz-files.py
2 1 -
A
tools\generate-unit-test-expect\ANI1.py
 2 -
A
.github\workflows\tools.yml
 4 -
A
tools\generate-unit-test-expect\neurochem_calculator.py
16 2 -
A
setup.py
19 16 1
A
tools\generate-unit-test-expect\nist.py
 1 -
A
.github\workflows\deploy-test-pypi.yml
 5 -
A
tools\generate-unit-test-expect\tripeptide-md.py
2 1 -
A
tests\test_aev.py
48 10 -
A
ci\install_cuda.sh
 3 -
A
tools\inference-benchmark.py
8 3 -
A
tests\test_aev_benzene_md.py
3 3 -
A
tools\md-benchmark-nsys-profile.py
1 2 1
A
tests\test_aev_nist.py
3 3 -
A
.github\wip.yml
 1 -
A
.github\workflows\cuda.yml
 5 -
A
.github\workflows\docs.yml
 6 -